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389574-19-0

389574-19-0 | Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)-, hydrochloride (1:1)

CAS No: 389574-19-0 Catalog No: AG0038RD MDL No:

Product Description

Catalog Number:
AG0038RD
Chemical Name:
Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)-, hydrochloride (1:1)
CAS Number:
389574-19-0
Molecular Formula:
C20H21ClFNO3S
Molecular Weight:
409.9020
IUPAC Name:
[5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride
InChI:
InChI=1S/C20H20FNO3S.ClH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H
InChI Key:
JALHGCPDPSNJNY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1sc2c(c1)CN(CC2)C(c1ccccc1F)C(=O)C1CC1.Cl

Properties

Complexity:
555  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.091g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
409.9g/mol
Monoisotopic Mass:
409.091g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Literature

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